ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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ATP-dependent DNA helicase Q5

Intramolecular
Cysteine 411 and cysteine 434 L
Cysteine 411 and cysteine 427
Cysteine 431 and cysteine 434 L
Cysteine 411 and cysteine 431
Cysteine 427 and cysteine 434 L
Cysteine 427 and cysteine 431
Cysteine 266 and cysteine 272
Cysteine 51 and cysteine 220
A redox-regulated disulphide may form within ATP-dependent DNA helicase Q5 between cysteines 411 and 434.

Details

Redox score ?
83
PDB code
5lba
Structure name
crystal structure of human recql5 helicase in complex with dspl fragment(1-cyclohexyl-3-(oxolan-2-ylmethyl)urea, sgc - diamond xchem i04-1 fragment screening
Structure deposition date
2016-06-15
Thiol separation (Å)
3
Half-sphere exposure sum ?
57
Minimum pKa ?
7
% buried
29
Peptide accession
O94762
Residue number A
411
Residue number B
434
Peptide name
ATP-dependent DNA helicase Q5

Ligandability

Cysteine 411 of ATP-dependent DNA helicase Q5

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 434 of ATP-dependent DNA helicase Q5

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within ATP-dependent DNA helicase Q5 between cysteines 411 and 427.

Details

Redox score ?
82
PDB code
5lb3
Structure name
crystal structure of human recql5 helicase in complex with adp/mg
Structure deposition date
2016-06-15
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
7
% buried
40
Peptide accession
O94762
Residue number A
411
Residue number B
427
Peptide name
ATP-dependent DNA helicase Q5

Ligandability

Cysteine 411 of ATP-dependent DNA helicase Q5

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 427 of ATP-dependent DNA helicase Q5

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within ATP-dependent DNA helicase Q5 between cysteines 431 and 434.

Details

Redox score ?
80
PDB code
5lba
Structure name
crystal structure of human recql5 helicase in complex with dspl fragment(1-cyclohexyl-3-(oxolan-2-ylmethyl)urea, sgc - diamond xchem i04-1 fragment screening
Structure deposition date
2016-06-15
Thiol separation (Å)
3
Half-sphere exposure sum ?
61
Minimum pKa ?
9
% buried
36
Peptide accession
O94762
Residue number A
431
Residue number B
434
Peptide name
ATP-dependent DNA helicase Q5

Ligandability

Cysteine 431 of ATP-dependent DNA helicase Q5

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 434 of ATP-dependent DNA helicase Q5

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within ATP-dependent DNA helicase Q5 between cysteines 411 and 431.

Details

Redox score ?
79
PDB code
5lb5
Structure name
crystal structure of human recql5 helicase in complex with adp/mg (tricilinc form)
Structure deposition date
2016-06-15
Thiol separation (Å)
4
Half-sphere exposure sum ?
67
Minimum pKa ?
7
% buried
45
Peptide accession
O94762
Residue number A
411
Residue number B
431
Peptide name
ATP-dependent DNA helicase Q5

Ligandability

Cysteine 411 of ATP-dependent DNA helicase Q5

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 431 of ATP-dependent DNA helicase Q5

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within ATP-dependent DNA helicase Q5 between cysteines 427 and 434.

Details

Redox score ?
78
PDB code
5lba
Structure name
crystal structure of human recql5 helicase in complex with dspl fragment(1-cyclohexyl-3-(oxolan-2-ylmethyl)urea, sgc - diamond xchem i04-1 fragment screening
Structure deposition date
2016-06-15
Thiol separation (Å)
4
Half-sphere exposure sum ?
50
Minimum pKa ?
8
% buried
10
Peptide accession
O94762
Residue number A
427
Residue number B
434
Peptide name
ATP-dependent DNA helicase Q5

Ligandability

Cysteine 427 of ATP-dependent DNA helicase Q5

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 434 of ATP-dependent DNA helicase Q5

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within ATP-dependent DNA helicase Q5 between cysteines 427 and 431.

Details

Redox score ?
75
PDB code
5lb3
Structure name
crystal structure of human recql5 helicase in complex with adp/mg
Structure deposition date
2016-06-15
Thiol separation (Å)
4
Half-sphere exposure sum ?
66
Minimum pKa ?
11
% buried
48
Peptide accession
O94762
Residue number A
427
Residue number B
431
Peptide name
ATP-dependent DNA helicase Q5

Ligandability

Cysteine 427 of ATP-dependent DNA helicase Q5

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 431 of ATP-dependent DNA helicase Q5

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within ATP-dependent DNA helicase Q5 between cysteines 266 and 272.

Details

Redox score ?
74
PDB code
5lb5
Structure name
crystal structure of human recql5 helicase in complex with adp/mg (tricilinc form)
Structure deposition date
2016-06-15
Thiol separation (Å)
4
Half-sphere exposure sum ?
69
Minimum pKa ?
7
% buried
66
Peptide accession
O94762
Residue number A
266
Residue number B
272
Peptide name
ATP-dependent DNA helicase Q5

Ligandability

Cysteine 266 of ATP-dependent DNA helicase Q5

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 272 of ATP-dependent DNA helicase Q5

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within ATP-dependent DNA helicase Q5 between cysteines 51 and 220. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
5lb8
Structure name
crystal structure of human recql5 helicase apo form
Structure deposition date
2016-06-15
Thiol separation (Å)
7
Half-sphere exposure sum ?
73
Minimum pKa ?
12
% buried
78
Peptide accession
O94762
Residue number A
51
Residue number B
220
Peptide name
ATP-dependent DNA helicase Q5

Ligandability

Cysteine 51 of ATP-dependent DNA helicase Q5

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 220 of ATP-dependent DNA helicase Q5

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

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